1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea

C112H107F4N43O17 — CID 159952094

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea (PubChem CID 159952094) has the molecular formula C112H107F4N43O17 and a molecular weight of 2403.36 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea.

Molecular Properties

• Compound Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea
• PubChem CID: 159952094
• Molecular Formula: C112H107F4N43O17
• Molecular Weight: 2403.36 g/mol
• Exact Mass: 2401.88
• IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea
• SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)on1.CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2F)no1.CC(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)n(C)n1.Cc1cc(Oc2ncnc3[nH]ncc23)ccc1NC(=O)Nc1cc(C(C)(C)C)on1.O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1cc(C(F)(F)F)on1
• InChI: InChI=1S/C20H21N7O3.C19H18FN7O3.C19H20N8O2.2C19H19N7O3.C16H10F3N7O3/c1-11-7-12(29-18-13-9-23-26-17(13)21-10-22-18)5-6-14(11)24-19(28)25-16-8-15(30-27-16)20(2,3)4;1-19(2,3)14-7-15(27-30-14)25-18(28)24-13-5-4-10(6-12(13)20)29-17-11-8-23-26-16(11)21-9-22-17;1-11(2)15-8-16(27(3)26-15)24-19(28)23-12-4-6-13(7-5-12)29-18-14-9-22-25-17(14)20-10-21-18;1-19(2,3)14-8-15(26-29-14)24-18(27)23-11-4-6-12(7-5-11)28-17-13-9-22-25-16(13)20-10-21-17;1-19(2,3)14-8-15(29-26-14)24-18(27)23-11-4-6-12(7-5-11)28-17-13-9-22-25-16(13)20-10-21-17;17-16(18,19)11-5-12(26-29-11)24-15(27)23-8-1-3-9(4-2-8)28-14-10-6-22-25-13(10)20-7-21-14/h5-10H,1-4H3,(H,21,22,23,26)(H2,24,25,27,28);4-9H,1-3H3,(H,21,22,23,26)(H2,24,25,27,28);4-11H,1-3H3,(H2,23,24,28)(H,20,21,22,25);4-10H,1-3H3,(H,20,21,22,25)(H2,23,24,26,27);4-10H,1-3H3,(H2,23,24,27)(H,20,21,22,25);1-7H,(H,20,21,22,25)(H2,23,24,26,27)
• InChIKey: OCGBINYOQYQHNV-UHFFFAOYSA-N
• XLogP: 24.19
• TPSA: 776.89 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 42
• Rotatable Bonds: 25
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2403.36
LogP ≤ 5	24.19
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea?

The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea (CID 159952094) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea.

What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea?

The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)on1.CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2F)no1.CC(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)n(C)n1.Cc1cc(Oc2ncnc3[nH]ncc23)ccc1NC(=O)Nc1cc(C(C)(C)C)on1.O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1cc(C(F)(F)F)on1.

What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea?

The InChIKey is OCGBINYOQYQHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3.C19H18FN7O3.C19H20N8O2.2C19H19N7O3.C16H10F3N7O3/c1-11-7-12(29-18-13-9-23-26-17(13)21-10-22-18)5-6-14(11)24-19(28)25-16-8-15(30-27-16)20(2,3)4;1-19(2,3)14-7-15(27-30-14)25-18(28)24-13-5-4-10(6-12(13)20)29-17-11-8-23-26-16(11)21-9-22-17;1-11(2)15-8-16(27(3)26-15)24-19(28)23-12-4-6-13(7-5-12)29-18-14-9-22-25-17(14)20-10-21-18;1-19(2,3)14-8-15(26-29-14)24-18(27)23-11-4-6-12(7-5-11)28-17-13-9-22-25-16(13)20-10-21-17;1-19(2,3)14-8-15(29-26-14)24-18(27)23-11-4-6-12(7-5-11)28-17-13-9-22-25-16(13)20-10-21-17;17-16(18,19)11-5-12(26-29-11)24-15(27)23-8-1-3-9(4-2-8)28-14-10-6-22-25-13(10)20-7-21-14/h5-10H,1-4H3,(H,21,22,23,26)(H2,24,25,27,28);4-9H,1-3H3,(H,21,22,23,26)(H2,24,25,27,28);4-11H,1-3H3,(H2,23,24,28)(H,20,21,22,25);4-10H,1-3H3,(H,20,21,22,25)(H2,23,24,26,27);4-10H,1-3H3,(H2,23,24,27)(H,20,21,22,25);1-7H,(H,20,21,22,25)(H2,23,24,26,27).

What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea?

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea has a molecular weight of 2403.36 g/mol, XLogP of 24.19, 25 rotatable bonds, 18 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea is sourced from PubChem (CID 159952094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).